4-(3-chlorocyclohexyl)piperidine

C11H20ClN — CID 118408989

IUPAC4-(3-chlorocyclohexyl)piperidine
SMILESClC1CCCC(C2CCNCC2)C1
InChIInChI=1S/C11H20ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h9-11,13H,1-8H2
InChIKeyXRUKQKGGLNJXGY-UHFFFAOYSA-N
MW201.74 g/mol
LogP2.78
Rot. Bonds1

About 4-(3-chlorocyclohexyl)piperidine

4-(3-chlorocyclohexyl)piperidine (PubChem CID 118408989) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 4-(3-chlorocyclohexyl)piperidine.

Molecular Properties

Compound Name4-(3-chlorocyclohexyl)piperidine
PubChem CID118408989
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name4-(3-chlorocyclohexyl)piperidine
SMILESClC1CCCC(C2CCNCC2)C1
InChIInChI=1S/C11H20ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h9-11,13H,1-8H2
InChIKeyXRUKQKGGLNJXGY-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorocyclohexyl)piperidine?
The IUPAC name of 4-(3-chlorocyclohexyl)piperidine (CID 118408989) is 4-(3-chlorocyclohexyl)piperidine.
What is the SMILES notation for 4-(3-chlorocyclohexyl)piperidine?
The canonical SMILES for 4-(3-chlorocyclohexyl)piperidine is ClC1CCCC(C2CCNCC2)C1.
What is the InChIKey of 4-(3-chlorocyclohexyl)piperidine?
The InChIKey is XRUKQKGGLNJXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h9-11,13H,1-8H2.
What are the key properties of 4-(3-chlorocyclohexyl)piperidine?
4-(3-chlorocyclohexyl)piperidine has a molecular weight of 201.74 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorocyclohexyl)piperidine is sourced from PubChem (CID 118408989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).